RefChem:566405
TL;DR: RefChem:566405 (CAS 19163-98-5) is a chemical compound with molecular formula C24H25Cl2N3O4S and molecular weight 521.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
3-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
Also Known As: 3-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate, 5,6-Dichloro-1-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-3-(3-sulfopropyl)-1H-benzimidazolium hydroxide, inner salt, Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-, inner salt, Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-, inner salt, Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-, inner salt
Technical Specifications
| Molecular Formula | C24H25Cl2N3O4S |
| Molecular Weight | 521.0943 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.0943 Da |
| Heavy Atoms | 34 |
| Complexity | 851.0 |
| SMILES | CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4O3)CC)CCCS(=O)(=O)[O-])Cl)Cl |
| InChIKey | IMDXVKVCQNKAQT-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:566405
Property Insights of RefChem:566405
The XLogP value of 5.7 indicates that RefChem:566405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:566405. Following Lipinski's Rule of Five, RefChem:566405 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:566405?
The CAS number of RefChem:566405 is 19163-98-5.
What is the molecular formula of RefChem:566405?
The molecular formula of RefChem:566405 is C24H25Cl2N3O4S.
What is the molecular weight of RefChem:566405?
The molecular weight of RefChem:566405 is 521.0943 g/mol.
Where can I buy RefChem:566405?
You can request a quote for RefChem:566405 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:566405?
Yes, CoreyChem provides custom synthesis services for RefChem:566405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.